2GIN

x-ray structure of the wt allene oxide cyclase 2 from arabidopsis thaliana

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 105
  • Norm. En. per Res.: -3.2095
• Hub Node: C(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-21.4883	-62.1377	-255.8	-339.426	108	12	5	10658	5	19	18
A-C	-40.4011	-60.2747	-244.654	-345.3298	110	16	5	10469	4	18	18
B-C	-22.5304	-60.9222	-253.547	-336.9996	105	10	5	10647	4	19	18
C-D	0.0	0.0	-1.2184	-1.2184	14	0	0	223	0	3	2
C-E	0.0	2.3097	-0.2293	2.0804	10	0	0	52	0	3	5
C-F	0.0	0.6267	-87.7917	-87.165	60	2	4	4349	0	15	14
D-E	-22.4193	-57.5366	-247.038	-326.9939	102	5	5	10516	4	18	18
D-F	-23.0032	-58.1635	-256.128	-337.2947	107	8	5	10655	5	19	17
E-F	-16.3567	-61.2378	-260.134	-337.7285	106	6	5	10685	5	19	17

Interface residues

• A-B: ALA114B, ALA119A, ALA125A, ALA125B, ALA150A, ALA38B, ALA68A, ALA87A, ALA87B, ARG29A, ARG63A, ARG84B, ASN188A, ASN25A, ASN37A, ASN37B, ASN53A, ASP47B, CYS71A, CYS71B, GLN102A, GLN102B, GLN128B, GLU123A, GLU75B, GLU79B, GLU86B, GLY103B, GLY117A, GLY117B, GLY118A, GLY120A, GLY124A, GLY127B, GLY148A, GLY44B, GLY46B, GLY65A, GLY69A, GLY94A, GLY97A, HIS30A, HIS76B, HIS98A, ILE115A, ILE115B, ILE121A, ILE34A, ILE66A, ILE74B, LEU106B, LEU113B, LEU146B, LEU149A, LEU35A, LEU35B, LEU45B, LEU48A, LEU48B, LEU70A, LEU70B, LEU99A, LYS130B, LYS147B, LYS33A, LYS36A, LYS36B, PHE112B, PHE122A, PHE39B, PHE51A, PHE85B, PHE91A, PHE93A, PRO104B, PRO32A, PRO50A, SER100A, SER100B, SER111B, SER31A, SER40B, SER90A, THR116A, THR116B, THR187A, THR52A, THR67A, THR88A, THR88B, TYR105B, TYR108B, TYR126A, TYR126B, TYR145B, TYR186A, TYR89A, TYR89B, TYR92A, VAL101A, VAL101B, VAL129B, VAL16B, VAL49A, VAL72A, VAL72B, VAL73B, VAL77B
• A-C: ALA114A, ALA114C, ALA119C, ALA125A, ALA125C, ALA150C, ALA38A, ALA68C, ALA87A, ALA87C, ARG29C, ARG84A, ASN185C, ASN188C, ASN25C, ASN37A, ASN37C, ASN53C, ASP47A, CYS71A, CYS71C, GLN102A, GLN102C, GLN128A, GLU123C, GLU75A, GLU79A, GLU86A, GLY103A, GLY117A, GLY117C, GLY118C, GLY120C, GLY124C, GLY127A, GLY148C, GLY44A, GLY46A, GLY65C, GLY69C, GLY94C, GLY97C, HIS30C, HIS76A, HIS98C, ILE115A, ILE115C, ILE121C, ILE34C, ILE66C, ILE74A, LEU106A, LEU113A, LEU146A, LEU149C, LEU35A, LEU35C, LEU45A, LEU48A, LEU48C, LEU70A, LEU70C, LEU99C, LYS130A, LYS147A, LYS33C, LYS36A, LYS36C, LYS80A, PHE112A, PHE122C, PHE39A, PHE51C, PHE85A, PHE91C, PHE93C, PRO104A, PRO32C, PRO50C, SER100A, SER100C, SER111A, SER31C, SER40A, SER90C, THR116A, THR116C, THR187C, THR52C, THR67C, THR88A, THR88C, TYR105A, TYR108A, TYR126A, TYR126C, TYR145A, TYR186C, TYR89A, TYR89C, TYR92C, VAL101A, VAL101C, VAL129A, VAL16A, VAL49C, VAL72A, VAL72C, VAL73A, VAL77A
• B-C: ALA114C, ALA119B, ALA125B, ALA125C, ALA150B, ALA38C, ALA68B, ALA87C, ARG29B, ARG63B, ARG84C, ASN185B, ASN188B, ASN25B, ASN37B, ASN37C, ASN53B, ASP47C, CYS71B, CYS71C, GLN102B, GLN102C, GLN128C, GLU123B, GLU75C, GLU79C, GLU86C, GLY103C, GLY117B, GLY117C, GLY118B, GLY120B, GLY124B, GLY127C, GLY148B, GLY44C, GLY46C, GLY69B, GLY94B, GLY97B, HIS30B, HIS76C, HIS98B, ILE115B, ILE115C, ILE121B, ILE34B, ILE66B, ILE74C, LEU106C, LEU113C, LEU146C, LEU35B, LEU35C, LEU45C, LEU48B, LEU48C, LEU70B, LEU70C, LEU99B, LYS130C, LYS147C, LYS33B, LYS36B, LYS36C, PHE112C, PHE122B, PHE39C, PHE51B, PHE85C, PHE91B, PHE93B, PRO104C, PRO32B, PRO50B, SER100B, SER100C, SER111C, SER31B, SER40C, SER90B, THR116B, THR116C, THR187B, THR52B, THR67B, THR88B, THR88C, TYR105C, TYR108C, TYR126B, TYR126C, TYR145C, TYR186B, TYR89B, TYR92B, VAL101B, VAL101C, VAL129C, VAL16C, VAL49B, VAL72B, VAL72C, VAL73C, VAL77C
• C-D: ALA176C, ALA38D, ASN37D, ASP28C, GLU169C, GLU173C, GLU178C, GLU26C, LEU41D, LYS175C, LYS36D, PHE39D, PRO172C, SER40D
• C-E: ASN37E, ASP167C, HIS30E, LYS166C, LYS33E, LYS36E, LYS81C, PHE39E, TYR136C, VAL135C
• C-F: ALA38F, ASN25C, ASN37F, ASN53C, ASP28C, ASP47C, ASP47F, CYS71C, GLU26C, GLU79F, GLU83C, GLY44C, GLY82C, HIS30C, HIS76F, ILE34C, ILE34F, LEU134C, LEU140C, LEU27C, LEU27F, LEU35F, LEU41C, LEU41F, LEU48C, LYS139C, LYS166C, LYS175C, LYS33C, LYS33F, LYS36C, LYS36F, LYS80F, LYS81C, LYS81F, MET42C, MET42F, PHE39F, PHE43C, PHE43F, PHE51C, PHE85C, PRO137C, PRO32C, PRO32F, PRO50C, PRO78F, SER31C, SER40C, SER40F, THR107C, THR138C, TYR105C, TYR108C, TYR136C, VAL135C, VAL49C, VAL49F, VAL73C, VAL77F
• D-E: ALA114E, ALA119D, ALA125D, ALA125E, ALA150D, ALA38E, ALA68D, ALA87E, ARG29D, ARG84E, ASN188D, ASN25D, ASN37D, ASN37E, ASN53D, ASP47E, CYS71D, CYS71E, GLN102D, GLN102E, GLN128E, GLU123D, GLU75E, GLU79E, GLU86E, GLY103E, GLY117D, GLY117E, GLY118D, GLY120D, GLY124D, GLY127E, GLY148D, GLY44E, GLY46E, GLY69D, GLY94D, GLY97D, HIS30D, HIS76E, HIS98D, ILE115D, ILE115E, ILE121D, ILE34D, ILE66D, ILE74E, LEU106E, LEU113E, LEU146E, LEU35D, LEU35E, LEU45E, LEU48D, LEU48E, LEU70D, LEU70E, LEU99D, LYS130E, LYS147E, LYS33D, LYS36D, LYS36E, PHE112E, PHE122D, PHE39E, PHE51D, PHE85E, PHE91D, PRO104E, PRO32D, PRO50D, SER100D, SER100E, SER111E, SER31D, SER40E, SER90D, THR116D, THR116E, THR187D, THR52D, THR67D, THR88D, THR88E, TYR105E, TYR108E, TYR126D, TYR126E, TYR145E, TYR186D, TYR89D, TYR92D, VAL101D, VAL101E, VAL129E, VAL16E, VAL49D, VAL72D, VAL72E, VAL73E, VAL77E
• D-F: ALA114D, ALA114F, ALA119F, ALA125D, ALA125F, ALA150F, ALA38D, ALA68F, ALA87D, ALA87F, ARG29F, ARG84D, ASN185F, ASN188F, ASN25F, ASN37D, ASN37F, ASN53F, ASP47D, CYS71D, CYS71F, GLN102D, GLN102F, GLN128D, GLU123F, GLU75D, GLU79D, GLU86D, GLY103D, GLY117D, GLY117F, GLY118F, GLY120F, GLY124F, GLY127D, GLY148F, GLY44D, GLY46D, GLY65F, GLY69F, GLY94F, GLY97F, HIS30F, HIS76D, HIS98F, ILE115D, ILE115F, ILE121F, ILE34F, ILE66F, ILE74D, LEU106D, LEU113D, LEU146D, LEU35D, LEU35F, LEU45D, LEU48D, LEU48F, LEU70D, LEU70F, LEU99F, LYS130D, LYS147D, LYS33F, LYS36D, LYS36F, PHE112D, PHE122F, PHE39D, PHE51F, PHE85D, PHE91F, PRO104D, PRO32F, PRO50F, SER100D, SER100F, SER111D, SER31F, SER40D, SER90F, THR116D, THR116F, THR187F, THR52F, THR67F, THR88D, THR88F, TYR105D, TYR108D, TYR126D, TYR126F, TYR145D, TYR186F, TYR89D, TYR89F, TYR92F, VAL101D, VAL101F, VAL129D, VAL16D, VAL49F, VAL72D, VAL72F, VAL73D, VAL77D
• E-F: ALA114F, ALA119E, ALA125E, ALA125F, ALA150E, ALA38F, ALA68E, ALA87F, ARG29E, ARG84F, ASN185E, ASN188E, ASN25E, ASN37E, ASN37F, ASN53E, ASP47F, CYS71E, CYS71F, GLN102E, GLN102F, GLN128F, GLU123E, GLU75F, GLU86F, GLY103F, GLY117E, GLY117F, GLY118E, GLY120E, GLY124E, GLY127F, GLY148E, GLY44F, GLY46F, GLY65E, GLY69E, GLY94E, GLY97E, HIS30E, HIS76F, HIS98E, ILE115E, ILE115F, ILE121E, ILE34E, ILE66E, ILE74F, LEU106F, LEU113F, LEU146F, LEU149E, LEU35E, LEU35F, LEU45F, LEU48E, LEU48F, LEU70E, LEU70F, LEU99E, LYS130F, LYS147F, LYS33E, LYS36E, LYS36F, PHE112F, PHE122E, PHE39F, PHE51E, PHE85F, PHE91E, PHE93E, PRO104F, PRO32E, PRO50E, SER100E, SER100F, SER111F, SER31E, SER40F, SER90E, THR116E, THR116F, THR187E, THR52E, THR67E, THR88E, THR88F, TYR105F, TYR108F, TYR126E, TYR126F, TYR145F, TYR186E, TYR89E, TYR89F, TYR92E, VAL101E, VAL101F, VAL129F, VAL16F, VAL49E, VAL72E, VAL72F, VAL73F, VAL77F